Geometry & MOs

Info

ID:

309614

PubChem CID:

126550891

Reduced:

OH13C23 (2)

Stoich.:

AB13C23 (2)

Weight, g/mol:

810.2341

ΔHf, kcal/mol:

139.99

Dipole, Da:

0.79

IP(EA), eV:

 -8.41(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzothiophen-2-yl-4-(16-methyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaen-10-yl)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C(=CC5=CC=CC=C54)C6=CC(=CC=C6)C7=CC8=CC=CC=C8C9=C7OC1=C9C2=CC=CC=C2C=C1

DOS

IR

Vibrations